(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O4S/c1-30-11-10-17(22-18(26)13-6-8-14(21)9-7-13)20(28)29-12-25-19(27)15-4-2-3-5-16(15)23-24-25/h2-9,17H,10-12H2,1H3,(H,22,26)